2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid

C11H10FN3O2 — CID 63277377

IUPAC2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid
SMILESNc1cc(-c2ccc(F)cc2)nn1CC(=O)O
InChIInChI=1S/C11H10FN3O2/c12-8-3-1-7(2-4-8)9-5-10(13)15(14-9)6-11(16)17/h1-5H,6,13H2,(H,16,17)
InChIKeyIPWGAGXQWZIYAU-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.36
Rot. Bonds3

About 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid

2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid (PubChem CID 63277377) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid
PubChem CID63277377
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid
SMILESNc1cc(-c2ccc(F)cc2)nn1CC(=O)O
InChIInChI=1S/C11H10FN3O2/c12-8-3-1-7(2-4-8)9-5-10(13)15(14-9)6-11(16)17/h1-5H,6,13H2,(H,16,17)
InChIKeyIPWGAGXQWZIYAU-UHFFFAOYSA-N
XLogP1.36
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid
CID 55170882
2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]acetic acid
CID 166086691
2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 121214144
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 6852091
3-(4-fluorophenyl)pyrazole-1,5-diamine
CID 23084895
ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate
CID 820314
2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetic acid
CID 68662783
2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid
CID 121214164
2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 102313327
4-[1-(carboxymethyl)-5-[4-[1-(carboxymethyl)-3-(4-carboxyphenyl)pyrazol-5-yl]phenyl]pyrazol-3-yl]benzoic acid
CID 71231192
methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate
CID 67496798
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid (CID 63277377) is 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid is Nc1cc(-c2ccc(F)cc2)nn1CC(=O)O.
What is the InChIKey of 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid?
The InChIKey is IPWGAGXQWZIYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-8-3-1-7(2-4-8)9-5-10(13)15(14-9)6-11(16)17/h1-5H,6,13H2,(H,16,17).
What are the key properties of 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid?
2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid has a molecular weight of 235.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 63277377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).